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Chemical ID: 5870609
Chemical ID:
5870609
Name [?]:
2-(4-chlorophenyl)sulfonylamino-3-phenyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H23ClN2O3S/c1-3-14(2)21-19(23)18(13-15-7-5-4-6-8-15)22-26(24,25)17-11-9-16(20)10-12-17/h4-12,14,18,22H,3,13H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,4,2,13,12,14,11,15,22,24,21,25,9,3,10,23,20,8,6,26,5,16,7,18,19,17/E:(5,6)(7,8)(9,10)(11,12)(24,25)/CRV:26.6/rA:26cCCCCNCOCCCCCCCCNSOOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.6484 |
Area: | 589.523 |
Solvation: | -3.08965 |
Coulombic: | -35.5858 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.916 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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