2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

C12H13ClN2O2S — CID 110782630

IUPAC2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3
InChIKeyMQTNJIHDYGPBKN-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (PubChem CID 110782630) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
PubChem CID110782630
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3
InChIKeyMQTNJIHDYGPBKN-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
2-bromo-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248631
4-chloro-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 106390737
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
3-bromo-4-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390601
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 103723821
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (CID 110782630) is 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The InChIKey is MQTNJIHDYGPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide has a molecular weight of 284.77 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110782630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).