(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide

C18H19N5O3S — CID 67455130

IUPAC(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@@H]4CCCN4)cc23)c1
InChIInChI=1S/C18H19N5O3S/c19-27(25,26)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)22-23-17)21-18(24)16-5-2-8-20-16/h1,3-4,6-7,9-10,16,20H,2,5,8H2,(H,21,24)(H,22,23)(H2,19,25,26)/t16-/m0/s1
InChIKeyDVINCUNLJYQRIO-INIZCTEOSA-N
MW385.45 g/mol
LogP1.57
Rot. Bonds4

About (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide

(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 67455130) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID67455130
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@@H]4CCCN4)cc23)c1
InChIInChI=1S/C18H19N5O3S/c19-27(25,26)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)22-23-17)21-18(24)16-5-2-8-20-16/h1,3-4,6-7,9-10,16,20H,2,5,8H2,(H,21,24)(H,22,23)(H2,19,25,26)/t16-/m0/s1
InChIKeyDVINCUNLJYQRIO-INIZCTEOSA-N
XLogP1.57
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
CID 67455298
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711574
N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 55177452
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
[2-methyl-1-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]carbamoyl]-3H-isoindol-1-yl] 2,2,2-trifluoroacetate
CID 123547932
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide (CID 67455130) is (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@@H]4CCCN4)cc23)c1.
What is the InChIKey of (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is DVINCUNLJYQRIO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O3S/c19-27(25,26)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)22-23-17)21-18(24)16-5-2-8-20-16/h1,3-4,6-7,9-10,16,20H,2,5,8H2,(H,21,24)(H,22,23)(H2,19,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67455130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).