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Chemical ID: 5365572

c1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2cc(ccc2Cl)[N+](=O)[O-]

Chemical ID:

5365572

Name [?]:

2-(benzenesulfonamido)-N-[(2-chloro-5-nitro-phenyl)methyleneamino]acetamide

SMILES [?]:

c1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2cc(ccc2Cl)[N+](=O)[O-]

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,20,21,18,16,11,17,19,4,22,12,23,15,10,14,24,13,25,26,8,9,7/E:(2,3)(4,5)(22,23)(24,25)/CRV:20.5,26.6/rA:26nCCCCCCSOONCCONNCCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	4.09238
Area:	586.577
Solvation:	-10.572
Coulombic:	-40.5567

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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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