5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C9H10ClN3O2S2 — CID 22209337

IUPAC5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C9H10ClN3O2S2/c1-13-6-7(4-11-13)5-12-17(14,15)9-3-2-8(10)16-9/h2-4,6,12H,5H2,1H3
InChIKeyMTFHULPAZVCFHE-UHFFFAOYSA-N
MW291.79 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22209337) has the molecular formula C9H10ClN3O2S2 and a molecular weight of 291.79 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22209337
Molecular FormulaC9H10ClN3O2S2
Molecular Weight291.79 g/mol
Exact Mass290.99
IUPAC Name5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C9H10ClN3O2S2/c1-13-6-7(4-11-13)5-12-17(14,15)9-3-2-8(10)16-9/h2-4,6,12H,5H2,1H3
InChIKeyMTFHULPAZVCFHE-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
5-(aminomethyl)-2-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018200
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383199
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22209337) is 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cn1cc(CNS(=O)(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is MTFHULPAZVCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S2/c1-13-6-7(4-11-13)5-12-17(14,15)9-3-2-8(10)16-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).