1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene

C15H17ClN2O2S — CID 73038177

IUPAC1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
SMILESCN(C)S(=O)(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15,17H,1-2H3
InChIKeyZAKLKOHOQNFNDK-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.83
Rot. Bonds5

About 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene

1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene (PubChem CID 73038177) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
PubChem CID73038177
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
SMILESCN(C)S(=O)(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15,17H,1-2H3
InChIKeyZAKLKOHOQNFNDK-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
CID 65030819
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene?
The IUPAC name of 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene (CID 73038177) is 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene is CN(C)S(=O)(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene?
The InChIKey is ZAKLKOHOQNFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15,17H,1-2H3.
What are the key properties of 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene?
1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene has a molecular weight of 324.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene is sourced from PubChem (CID 73038177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).