Chemical ID: 4481605

CN(c1ccccc1C(=O)NCc2ccccc2Cl)S(=O)(=O)c3ccccc3
Chemical ID:
4481605
Name [?]:
N-[(2-chlorophenyl)methyl]-2-(methyl-phenylsulfonyl-amino)-benzamide
SMILES [?]:
CN(c1ccccc1C(=O)NCc2ccccc2Cl)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C21H19ClN2O3S/c1-24(28(26,27)17-10-3-2-4-11-17)20-14-8-6-12-18(20)21(25)23-15-16-9-5-7-13-19(16)22/h2-14H,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,15,6,16,5,14,24,28,7,17,4,12,13,23,8,18,3,9,19,11,2,10,21,22,20/E:(3,4)(10,11)(26,27)/CRV:28.6/rA:28cCNCCCCCCCONCCCCCCCClSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s2;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.6471
Area:603.971
Solvation:-3.4522
Coulombic:-32.0009
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.906
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):4.05

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Descriptor Annotations

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