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Chemical ID: 7200997

c1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])Cl

Chemical ID:

7200997

Name [?]:

2-(benzenesulfonamido)-N-[(4-chloro-3-nitro-phenyl)methyleneamino]acetamide

SMILES [?]:

c1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C15H13ClN4O5S/c16-13-7-6-11(8-14(13)20(22)23)9-17-19-15(21)10-18-26(24,25)12-4-2-1-3-5-12/h1-9,18H,10H2,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,18,19,22,16,11,17,4,20,21,12,26,15,10,14,23,13,24,25,8,9,7/E:(2,3)(4,5)(22,23)(24,25)/CRV:20.5,26.6/rA:26nCCCCCCSOONCCONNCCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃ClN₄O₅S
All Atoms:	39
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	3.80314
Area:	597.52
Solvation:	-11.1349
Coulombic:	-40.0231

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	396.806
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	3.0
LogP (Chemaxon):	2.62

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value