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Chemical ID: 4279871
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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