2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid

C10H12ClN5O4S — CID 106139090

IUPAC2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1
InChIInChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18)
InChIKeyUUFNJHQOZUANPR-UHFFFAOYSA-N
MW333.76 g/mol
LogP-0.09
Rot. Bonds5

About 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 106139090) has the molecular formula C10H12ClN5O4S and a molecular weight of 333.76 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID106139090
Molecular FormulaC10H12ClN5O4S
Molecular Weight333.76 g/mol
Exact Mass333.03
IUPAC Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1
InChIInChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18)
InChIKeyUUFNJHQOZUANPR-UHFFFAOYSA-N
XLogP-0.09
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288364
(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
CID 106139067
2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288368
2-(4-chloro-3-methylphenyl)-2-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]acetic acid
CID 136541725
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106139065
2-(1-methylpyrazol-4-yl)-2-(methylsulfonylmethylsulfonylamino)acetic acid
CID 82840501
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
CID 106139021
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
(2R)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139080
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106150769

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 106139090) is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is UUFNJHQOZUANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18).
What are the key properties of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 333.76 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 106139090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).