N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C16H19N3O4S — CID 36620781

IUPACN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-13-6-4-12(5-7-13)18-24(21,22)14-10-15(17-11-14)16(20)19-8-2-3-9-19/h4-7,10-11,17-18H,2-3,8-9H2,1H3
InChIKeyYFZXSKTXOHOFHY-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.06
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 36620781) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID36620781
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-13-6-4-12(5-7-13)18-24(21,22)14-10-15(17-11-14)16(20)19-8-2-3-9-19/h4-7,10-11,17-18H,2-3,8-9H2,1H3
InChIKeyYFZXSKTXOHOFHY-UHFFFAOYSA-N
XLogP2.06
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 20958429
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945163
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621427
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 97044174
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 36620781) is N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is YFZXSKTXOHOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-13-6-4-12(5-7-13)18-24(21,22)14-10-15(17-11-14)16(20)19-8-2-3-9-19/h4-7,10-11,17-18H,2-3,8-9H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 36620781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).