4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide

C12H14ClN3O3S — CID 43547505

IUPAC4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H14ClN3O3S/c1-7-12(8(2)15-14-7)16-20(17,18)11-5-4-9(13)6-10(11)19-3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyXCQXGUPPNLQISN-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide

4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 43547505) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID43547505
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H14ClN3O3S/c1-7-12(8(2)15-14-7)16-20(17,18)11-5-4-9(13)6-10(11)19-3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyXCQXGUPPNLQISN-UHFFFAOYSA-N
XLogP2.49
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 54905308
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 167920553
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide (CID 43547505) is 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XCQXGUPPNLQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-7-12(8(2)15-14-7)16-20(17,18)11-5-4-9(13)6-10(11)19-3/h4-6,16H,1-3H3,(H,14,15).
What are the key properties of 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43547505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).