(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide

C18H17ClN4O3S — CID 39843542

IUPAC(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1)n1cccn1
InChIInChI=1S/C18H17ClN4O3S/c1-13(23-10-4-9-20-23)18(24)21-15-6-3-7-16(12-15)22-27(25,26)17-8-2-5-14(19)11-17/h2-13,22H,1H3,(H,21,24)/t13-/m1/s1
InChIKeyAJAMGTGXTPSFDV-CYBMUJFWSA-N
MW404.88 g/mol
LogP3.54
Rot. Bonds6

About (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 39843542) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID39843542
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1)n1cccn1
InChIInChI=1S/C18H17ClN4O3S/c1-13(23-10-4-9-20-23)18(24)21-15-6-3-7-16(12-15)22-27(25,26)17-8-2-5-14(19)11-17/h2-13,22H,1H3,(H,21,24)/t13-/m1/s1
InChIKeyAJAMGTGXTPSFDV-CYBMUJFWSA-N
XLogP3.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 60532227
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
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2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide (CID 39843542) is (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide is C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1)n1cccn1.
What is the InChIKey of (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is AJAMGTGXTPSFDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-13(23-10-4-9-20-23)18(24)21-15-6-3-7-16(12-15)22-27(25,26)17-8-2-5-14(19)11-17/h2-13,22H,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 404.88 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 39843542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).