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Chemical ID: 4634473

CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])OC

Chemical ID:

4634473

Name [?]:

N-[4-[(4-methoxy-3-nitro-phenyl)methyleneaminocarbamoylmethyl-methyl-sulfamoyl]phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])OC

InChi [?]:

InChI=1/C19H21N5O7S/c1-13(25)21-15-5-7-16(8-6-15)32(29,30)23(2)12-19(26)22-20-11-14-4-9-18(31-3)17(10-14)24(27)28/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)

InChi Info:

AuxInfo=1/1/N:1,15,32,23,6,10,7,9,24,27,21,16,2,22,5,8,26,25,17,20,4,19,14,28,3,18,29,30,12,13,31,11/E:(5,6)(7,8)(27,28)(29,30)/CRV:24.5,32.6/rA:32cCCONCCCCCCSOONCCCONNCCCCCCCN+OO-OC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s14;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s26;d28;s28;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₅O₇S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	1.92764
Area:	674.664
Solvation:	-14.939
Coulombic:	-58.8613

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	463.466
H-Bond Donors:	2
H-Bond Acceptors:	12
XLogP:	1.79
LogP (Chemaxon):	1.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value