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Chemical ID: 4771358

c1cc(cnc1)CN(Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)Cl

Chemical ID:

4771358

Name [?]:

4-chloro-N-[(4-chlorophenyl)methyl]-N-(3-pyridylmethyl)benzenesulfonamide

SMILES [?]:

c1cc(cnc1)CN(Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C19H16Cl2N2O2S/c20-17-5-3-15(4-6-17)13-23(14-16-2-1-11-22-12-16)26(24,25)19-9-7-18(21)8-10-19/h1-12H,13-14H2

InChi Info:

AuxInfo=1/0/N:1,2,11,15,12,14,22,24,21,25,6,4,9,7,10,3,13,23,20,16,26,5,8,18,19,17/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:26.6/rA:26cCCCCNCCNCCCCCCCClSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆Cl₂N₂O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3088
Area:	575.081
Solvation:	-3.06821
Coulombic:	-15.0208

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	407.314
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.52
LogP (Chemaxon):	4.45

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