3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

C10H7Cl2N3O3S — CID 63086291

IUPAC3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O3S/c11-7-5-6(19(12,17)18)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyYJYGGGKUNNFEBW-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.24
Rot. Bonds3

About 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 63086291) has the molecular formula C10H7Cl2N3O3S and a molecular weight of 320.16 g/mol. Its IUPAC name is 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID63086291
Molecular FormulaC10H7Cl2N3O3S
Molecular Weight320.16 g/mol
Exact Mass318.96
IUPAC Name3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O3S/c11-7-5-6(19(12,17)18)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyYJYGGGKUNNFEBW-UHFFFAOYSA-N
XLogP2.24
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086288
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 43110736
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane
CID 144743143
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (CID 63086291) is 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccn[nH]1.
What is the InChIKey of 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is YJYGGGKUNNFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3S/c11-7-5-6(19(12,17)18)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16).
What are the key properties of 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 320.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 63086291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).