Chemical ID: 4080561

Cc1ccc(cc1Cl)NS(=O)(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
4080561
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)NS(=O)(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C17H20ClNO2S/c1-12-5-8-14(11-16(12)18)19-22(20,21)15-9-6-13(7-10-15)17(2,3)4/h5-11,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,22,3,15,17,4,14,18,6,2,16,5,13,7,19,8,9,11,12,10/E:(2,3,4)(6,7)(9,10)(20,21)/CRV:22.6/rA:22nCCCCCCCClNSOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClNO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4037
Area:522.804
Solvation:-1.66637
Coulombic:-15.1397
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.865
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):5.22

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Descriptor Annotations

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