2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

C17H20ClN3O3S — CID 4520711

IUPAC2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CNCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)25(23,24)16-10-14(8-9-15(16)18)20-17(22)12-19-11-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyYHNZPHABBWZYQH-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.32
Rot. Bonds7

About 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4520711) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4520711
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CNCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)25(23,24)16-10-14(8-9-15(16)18)20-17(22)12-19-11-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyYHNZPHABBWZYQH-UHFFFAOYSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4881219
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16277945
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (CID 4520711) is 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CNCc2ccccc2)ccc1Cl.
What is the InChIKey of 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YHNZPHABBWZYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-21(2)25(23,24)16-10-14(8-9-15(16)18)20-17(22)12-19-11-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4520711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).