N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide

C19H19ClN4O3S — CID 60532227

IUPACN-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-13-17(20)8-4-9-18(13)28(26,27)23-16-7-3-6-15(12-16)22-19(25)14(2)24-11-5-10-21-24/h3-12,14,23H,1-2H3,(H,22,25)
InChIKeyRUGILXUIBCPQJO-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 60532227) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID60532227
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-13-17(20)8-4-9-18(13)28(26,27)23-16-7-3-6-15(12-16)22-19(25)14(2)24-11-5-10-21-24/h3-12,14,23H,1-2H3,(H,22,25)
InChIKeyRUGILXUIBCPQJO-UHFFFAOYSA-N
XLogP3.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 39843542
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 71913696
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide (CID 60532227) is N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1.
What is the InChIKey of N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is RUGILXUIBCPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-13-17(20)8-4-9-18(13)28(26,27)23-16-7-3-6-15(12-16)22-19(25)14(2)24-11-5-10-21-24/h3-12,14,23H,1-2H3,(H,22,25).
What are the key properties of N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 418.91 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-methylphenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 60532227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).