Chemical ID: 4072151

CN1CCCN(CC1)S(=O)(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
4072151
Name [?]:
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane
SMILES [?]:
CN1CCCN(CC1)S(=O)(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C12H16Cl2N2O2S/c1-15-5-2-6-16(8-7-15)19(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,13,14,3,5,8,7,17,12,15,16,19,18,2,6,10,11,9/E:(17,18)/CRV:19.6/rA:19cCNCCCNCCSOOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s2s7;s6;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16Cl2N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.79074
Area:473.54
Solvation:-2.04776
Coulombic:-12.8601
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.239
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.06

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