N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C12H14ClN3O2S — CID 71688376

IUPACN-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-9(2)16-8-12(7-14-16)19(17,18)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3
InChIKeyKTKSABLKYNSICY-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.92
Rot. Bonds4

About N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688376) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688376
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-9(2)16-8-12(7-14-16)19(17,18)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3
InChIKeyKTKSABLKYNSICY-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-methyl-4-(1-propan-2-ylpyrazol-4-yl)sulfonylaniline
CID 144625593
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688376) is N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is KTKSABLKYNSICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9(2)16-8-12(7-14-16)19(17,18)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).