Chemical ID: 4469097

Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NCc2ccccc2Cl
Chemical ID:
4469097
Name [?]:
N-[(2-chlorophenyl)methyl]-4-methyl-3-nitro-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NCc2ccccc2Cl
InChi [?]:
InChI=1/C14H13ClN2O4S/c1-10-6-7-12(8-14(10)17(18)19)22(20,21)16-9-11-4-2-3-5-13(11)15/h2-8,16H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,3,4,6,15,2,16,5,21,7,22,14,8,9,10,12,13,11/E:(18,19)(20,21)/CRV:17.5,22.6/rA:22nCCCCCCCN+OO-SOONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.3586
Area:514.793
Solvation:-7.51123
Coulombic:-24.5805
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.783
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.2
LogP (Chemaxon):3.64

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue