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Chemical ID: 6661983
Chemical ID:
6661983
Name [?]:
N-(4-chlorophenyl)-N,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H14ClNO2S/c1-11-3-9-14(10-4-11)19(17,18)16(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,7,15,17,14,18,4,6,2,16,13,5,19,11,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19cCCCCCCCSOONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.91351 |
Area: | 468.0 |
Solvation: | -1.78647 |
Coulombic: | -9.69273 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.785 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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