N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H14ClN3O3S2 — CID 106044308

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O3S2/c1-7-11(9(6-16)15-14-7)20(17,18)13-5-4-8-2-3-10(12)19-8/h2-3,13,16H,4-6H2,1H3,(H,14,15)
InChIKeyJVJWSPDVEXFXJL-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106044308) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106044308
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O3S2/c1-7-11(9(6-16)15-14-7)20(17,18)13-5-4-8-2-3-10(12)19-8/h2-3,13,16H,4-6H2,1H3,(H,14,15)
InChIKeyJVJWSPDVEXFXJL-UHFFFAOYSA-N
XLogP1.45
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106044354
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
N-[2-(2,2-difluoroethoxy)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106001528
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106044308) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CO)c1S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JVJWSPDVEXFXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c1-7-11(9(6-16)15-14-7)20(17,18)13-5-4-8-2-3-10(12)19-8/h2-3,13,16H,4-6H2,1H3,(H,14,15).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 335.84 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106044308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).