N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide

C19H19ClN2O2S — CID 11314836

IUPACN-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-14-7-9-17(10-8-14)25(23,24)22-13-18(19-6-3-11-21-19)15-4-2-5-16(20)12-15/h2-12,18,21-22H,13H2,1H3
InChIKeyMSLSBCCCKPDSHA-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 11314836) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID11314836
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-14-7-9-17(10-8-14)25(23,24)22-13-18(19-6-3-11-21-19)15-4-2-5-16(20)12-15/h2-12,18,21-22H,13H2,1H3
InChIKeyMSLSBCCCKPDSHA-UHFFFAOYSA-N
XLogP4.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide (CID 11314836) is N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)c2ccc[nH]2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is MSLSBCCCKPDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-14-7-9-17(10-8-14)25(23,24)22-13-18(19-6-3-11-21-19)15-4-2-5-16(20)12-15/h2-12,18,21-22H,13H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(1H-pyrrol-2-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11314836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).