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

C7H10ClN3O4S — CID 106139067

IUPAC(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C7H10ClN3O4S/c1-4(7(12)13)10-16(14,15)6-5(8)3-9-11(6)2/h3-4,10H,1-2H3,(H,12,13)/t4-/m0/s1
InChIKeyLDQPTTZMWFMUDW-BYPYZUCNSA-N
MW267.69 g/mol
LogP-0.18
Rot. Bonds4

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

(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid (PubChem CID 106139067) has the molecular formula C7H10ClN3O4S and a molecular weight of 267.69 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
PubChem CID106139067
Molecular FormulaC7H10ClN3O4S
Molecular Weight267.69 g/mol
Exact Mass267.01
IUPAC Name(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C7H10ClN3O4S/c1-4(7(12)13)10-16(14,15)6-5(8)3-9-11(6)2/h3-4,10H,1-2H3,(H,12,13)/t4-/m0/s1
InChIKeyLDQPTTZMWFMUDW-BYPYZUCNSA-N
XLogP-0.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106150769
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
CID 106139021
methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 114172524
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 106139090
(2R)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139080
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106139065
N-(4-bromopentan-2-yl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316126
N-[1-(2-aminophenyl)ethyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313729
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
4-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-methylpyrazole-5-sulfonamide
CID 114150470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid (CID 106139067) is (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid is C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is LDQPTTZMWFMUDW-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10ClN3O4S/c1-4(7(12)13)10-16(14,15)6-5(8)3-9-11(6)2/h3-4,10H,1-2H3,(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid?
(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 267.69 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 106139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).