1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide

C14H17ClN2O2S — CID 110789278

IUPAC1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
SMILESCn1ccc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H17ClN2O2S/c1-17-9-7-12(10-17)6-8-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,7,9-10,16H,6,8,11H2,1H3
InChIKeyMRQWVOJUXMGMOY-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.34
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide (PubChem CID 110789278) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
PubChem CID110789278
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
SMILESCn1ccc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H17ClN2O2S/c1-17-9-7-12(10-17)6-8-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,7,9-10,16H,6,8,11H2,1H3
InChIKeyMRQWVOJUXMGMOY-UHFFFAOYSA-N
XLogP2.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250
1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110415635
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
2-(4-chlorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789180
1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 63666784
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide (CID 110789278) is 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide is Cn1ccc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide?
The InChIKey is MRQWVOJUXMGMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-17-9-7-12(10-17)6-8-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,7,9-10,16H,6,8,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide has a molecular weight of 312.82 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110789278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).