N-[(4-chlorophenyl)methyl]methanesulfonamide

C8H10ClNO2S — CID 2800737

IUPACN-[(4-chlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyCRYRIYLKDDYXOB-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.39
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]methanesulfonamide (PubChem CID 2800737) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]methanesulfonamide
PubChem CID2800737
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-[(4-chlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyCRYRIYLKDDYXOB-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70601747
CID 70601747
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
CID 58961002
N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]methanesulfonamide (CID 2800737) is N-[(4-chlorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]methanesulfonamide?
The InChIKey is CRYRIYLKDDYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]methanesulfonamide?
N-[(4-chlorophenyl)methyl]methanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 2800737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).