1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide

C15H15ClN6O3S — CID 167077237

IUPAC1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
SMILESC[C@H](C(N)O)n1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H15ClN6O3S/c1-8(15(18)23)22-7-10(6-20-22)26(24,25)21-12-3-2-11(16)13-9(4-17)5-19-14(12)13/h2-3,5-8,15,19,21,23H,18H2,1H3/t8-,15?/m1/s1
InChIKeyUDYKDFJZWPLNQW-ARAKYBCZSA-N
MW394.84 g/mol
LogP1.53
Rot. Bonds5

About 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide

1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide (PubChem CID 167077237) has the molecular formula C15H15ClN6O3S and a molecular weight of 394.84 g/mol. Its IUPAC name is 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
PubChem CID167077237
Molecular FormulaC15H15ClN6O3S
Molecular Weight394.84 g/mol
Exact Mass394.06
IUPAC Name1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
SMILESC[C@H](C(N)O)n1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H15ClN6O3S/c1-8(15(18)23)22-7-10(6-20-22)26(24,25)21-12-3-2-11(16)13-9(4-17)5-19-14(12)13/h2-3,5-8,15,19,21,23H,18H2,1H3/t8-,15?/m1/s1
InChIKeyUDYKDFJZWPLNQW-ARAKYBCZSA-N
XLogP1.53
TPSA149.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
CID 155193473
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
CID 155193523
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide (CID 167077237) is 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide is C[C@H](C(N)O)n1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)cn1.
What is the InChIKey of 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is UDYKDFJZWPLNQW-ARAKYBCZSA-N. The full InChI is InChI=1S/C15H15ClN6O3S/c1-8(15(18)23)22-7-10(6-20-22)26(24,25)21-12-3-2-11(16)13-9(4-17)5-19-14(12)13/h2-3,5-8,15,19,21,23H,18H2,1H3/t8-,15?/m1/s1.
What are the key properties of 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 394.84 g/mol, XLogP of 1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167077237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).