Chemical ID: 4279871

Cc1c(cccc1Cl)NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C
Chemical ID:
4279871
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2,4,6-triisopropyl-benzenesulfonamide
SMILES [?]:
Cc1c(cccc1Cl)NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C
InChi [?]:
InChI=1/C22H30ClNO2S/c1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)27(25,26)24-21-10-8-9-20(23)16(21)7/h8-15,24H,1-7H3
InChi Info:
AuxInfo=1/0/N:23,24,20,21,26,27,1,5,6,4,17,15,22,19,25,2,16,18,14,7,3,13,8,9,11,12,10/E:(1,2)(3,4,5,6)(11,12)(14,15)(18,19)(25,26)/CRV:27.6/rA:27nCCCCCCCClNSOOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s19;s19;s16;s22;s22;s14;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30ClNO2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.9151
Area:574.701
Solvation:-1.45244
Coulombic:-16.5331
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.998
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.36
LogP (Chemaxon):7.18

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