4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide

C19H19ClN2O2S — CID 53000346

IUPAC4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-15-4-6-16(7-5-15)14-22-12-2-3-18(22)13-21-25(23,24)19-10-8-17(20)9-11-19/h2-12,21H,13-14H2,1H3
InChIKeyXAIGYNGGGFAUIO-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.98
Rot. Bonds6

About 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide

4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide (PubChem CID 53000346) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
PubChem CID53000346
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-15-4-6-16(7-5-15)14-22-12-2-3-18(22)13-21-25(23,24)19-10-8-17(20)9-11-19/h2-12,21H,13-14H2,1H3
InChIKeyXAIGYNGGGFAUIO-UHFFFAOYSA-N
XLogP3.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 20963896
3-chloro-N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-fluorobenzenesulfonamide
CID 20963907
3,4-dimethoxy-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000353
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide
CID 53000340
3,5-dimethyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53000362
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 3925857
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
CID 139709183
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxybenzenesulfonamide
CID 20963959
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 20963866
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
CID 20963925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide (CID 53000346) is 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide is Cc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide?
The InChIKey is XAIGYNGGGFAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-15-4-6-16(7-5-15)14-22-12-2-3-18(22)13-21-25(23,24)19-10-8-17(20)9-11-19/h2-12,21H,13-14H2,1H3.
What are the key properties of 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53000346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).