2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid

C12H12ClN3O4S — CID 115288364

IUPAC2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cn1
InChIInChI=1S/C12H12ClN3O4S/c1-16-7-8(6-14-16)11(12(17)18)15-21(19,20)10-4-2-9(13)3-5-10/h2-7,11,15H,1H3,(H,17,18)
InChIKeyYOWWQARRYYZIOM-UHFFFAOYSA-N
MW329.77 g/mol
LogP1.18
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288364) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288364
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cn1
InChIInChI=1S/C12H12ClN3O4S/c1-16-7-8(6-14-16)11(12(17)18)15-21(19,20)10-4-2-9(13)3-5-10/h2-7,11,15H,1H3,(H,17,18)
InChIKeyYOWWQARRYYZIOM-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 106139090
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288368
2-(1-methylpyrazol-4-yl)-2-(methylsulfonylmethylsulfonylamino)acetic acid
CID 82840501
2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 114533414
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279548
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[(2-fluoro-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288212
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287993
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288364) is 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cn1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is YOWWQARRYYZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-16-7-8(6-14-16)11(12(17)18)15-21(19,20)10-4-2-9(13)3-5-10/h2-7,11,15H,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 329.77 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).