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Chemical ID: 6392979

Chemical ID:

6392979

Name [?]:

4-chloro-N-(3-methoxypropyl)benzenesulfonamide

SMILES [?]:

COCCCNS(=O)(=O)c1ccc(cc1)Cl

InChi [?]:

InChI=1/C10H14ClNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,12,14,11,15,5,3,13,10,16,6,8,9,2,7/E:(3,4)(5,6)(13,14)/CRV:16.6/rA:16nCOCCCNSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₄ClNO₃S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.79568
Area:	453.882
Solvation:	-3.55136
Coulombic:	-20.2059

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.742
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.66
LogP (Chemaxon):	1.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value