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Chemical ID: 7254595

Chemical ID:

7254595

Name [?]:

2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide

SMILES [?]:

Cc1ccc(c(c1)S(=O)(=O)NCCCc2ccccc2)C

InChi [?]:

InChI=1/C17H21NO2S/c1-14-10-11-15(2)17(13-14)21(19,20)18-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,18,17,19,13,16,20,14,3,4,12,7,2,5,15,6,11,9,10,8/E:(4,5)(7,8)(19,20)/CRV:21.6/rA:21nCCCCCCCSOONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₂S
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9162
Area:	517.852
Solvation:	-2.03014
Coulombic:	-15.0798

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	303.42
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.76
LogP (Chemaxon):	4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value