1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene

C15H17ClN2O2S — CID 110443542

IUPAC1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
SMILESCN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-11-12-3-5-13(6-4-12)14-7-9-15(16)10-8-14/h3-10,17H,11H2,1-2H3
InChIKeyKCTDFZCRUZRZQN-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene

1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene (PubChem CID 110443542) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
PubChem CID110443542
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
SMILESCN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-11-12-3-5-13(6-4-12)14-7-9-15(16)10-8-14/h3-10,17H,11H2,1-2H3
InChIKeyKCTDFZCRUZRZQN-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene
CID 141025901
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110781232
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
CID 143489963
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene (CID 110443542) is 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene is CN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene?
The InChIKey is KCTDFZCRUZRZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-11-12-3-5-13(6-4-12)14-7-9-15(16)10-8-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene?
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene has a molecular weight of 324.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene is sourced from PubChem (CID 110443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).