N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide

C13H15ClN4O3S2 — CID 164642733

IUPACN-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1
InChIInChI=1S/C13H15ClN4O3S2/c1-23(20,21)17-8-4-5-18(7-8)13(19)9-6-15-16-12(9)10-2-3-11(14)22-10/h2-3,6,8,17H,4-5,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyHMTXILXRDYRQGL-QMMMGPOBSA-N
MW374.88 g/mol
LogP1.56
Rot. Bonds4

About N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 164642733) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID164642733
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC NameN-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1
InChIInChI=1S/C13H15ClN4O3S2/c1-23(20,21)17-8-4-5-18(7-8)13(19)9-6-15-16-12(9)10-2-3-11(14)22-10/h2-3,6,8,17H,4-5,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyHMTXILXRDYRQGL-QMMMGPOBSA-N
XLogP1.56
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone
CID 126779570
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(methanesulfonamido)pyrrolidine-1-carboxamide
CID 136526323
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 167835801
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
N-[(3R)-1-[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 129425838
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 126444333

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 164642733) is N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1.
What is the InChIKey of N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HMTXILXRDYRQGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c1-23(20,21)17-8-4-5-18(7-8)13(19)9-6-15-16-12(9)10-2-3-11(14)22-10/h2-3,6,8,17H,4-5,7H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 374.88 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164642733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).