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Chemical ID: 7293833

Chemical ID:

7293833

Name [?]:

N-(3,4-difluorophenyl)-4-isopropyl-benzenesulfonamide

SMILES [?]:

CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)F)F

InChi [?]:

InChI=1/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,5,9,15,6,8,16,19,2,4,14,7,17,18,21,20,13,11,12,10/E:(1,2)(3,4)(6,7)(19,20)/CRV:21.6/rA:21nCCCCCCCCCSOONCCCCCCFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅F₂NO₂S
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.17208
Area:	468.341
Solvation:	-3.53645
Coulombic:	-20.5632

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	311.348
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.44
LogP (Chemaxon):	4.08

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