Chemical ID: 4297703

CCCNc1ccc(cc1)S(=O)(=O)c2ccccc2
Chemical ID:
4297703
Name [?]:
4-phenylsulfonyl-N-propyl-aniline
SMILES [?]:
CCCNc1ccc(cc1)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C15H17NO2S/c1-2-12-16-13-8-10-15(11-9-13)19(17,18)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,19,6,10,7,9,3,5,14,8,4,12,13,11/E:(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:19.6/rA:19nCCCNCCCCCCSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.91532
Area:475.404
Solvation:-1.96979
Coulombic:-18.6037
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.367
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):3.26

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