1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide

C16H21ClN2O2S — CID 110415635

IUPAC1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C16H21ClN2O2S/c1-12-10-15(13(2)19(12)3)8-9-18-22(20,21)11-14-4-6-16(17)7-5-14/h4-7,10,18H,8-9,11H2,1-3H3
InChIKeyNQSXBBYWBQPTOZ-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.96
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide (PubChem CID 110415635) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
PubChem CID110415635
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C16H21ClN2O2S/c1-12-10-15(13(2)19(12)3)8-9-18-22(20,21)11-14-4-6-16(17)7-5-14/h4-7,10,18H,8-9,11H2,1-3H3
InChIKeyNQSXBBYWBQPTOZ-UHFFFAOYSA-N
XLogP2.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110415650
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide (CID 110415635) is 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide is Cc1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c(C)n1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NQSXBBYWBQPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c1-12-10-15(13(2)19(12)3)8-9-18-22(20,21)11-14-4-6-16(17)7-5-14/h4-7,10,18H,8-9,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide has a molecular weight of 340.88 g/mol, XLogP of 2.96, 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-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110415635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).