ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6392980

Chemical ID:

6392980

Name [?]:

4-chloro-N,N-diethyl-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(cc1)Cl

InChi [?]:

InChI=1/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,11,13,10,14,12,9,15,3,7,8,6/E:(1,2)(3,4)(5,6)(7,8)(13,14)/CRV:15.6/rA:15nCCNCCSOOCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₄ClNO₂S
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	8.49041
Area:	407.809
Solvation:	-1.70481
Coulombic:	-8.6141

Bond Count [?]

All:	15
Single:	10
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	247.742
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.58
LogP (Chemaxon):	2.38

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