N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

C19H23N3O3S2 — CID 171915283

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CC(C)NS(=O)(=O)c2ccc(-c3ccc(CO)cc3)s2)n1
InChIInChI=1S/C19H23N3O3S2/c1-13-10-15(3)22(20-13)11-14(2)21-27(24,25)19-9-8-18(26-19)17-6-4-16(12-23)5-7-17/h4-10,14,21,23H,11-12H2,1-3H3
InChIKeyOWFGLWOBCFFTGT-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.09
Rot. Bonds7

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 171915283) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
PubChem CID171915283
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CC(C)NS(=O)(=O)c2ccc(-c3ccc(CO)cc3)s2)n1
InChIInChI=1S/C19H23N3O3S2/c1-13-10-15(3)22(20-13)11-14(2)21-27(24,25)19-9-8-18(26-19)17-6-4-16(12-23)5-7-17/h4-10,14,21,23H,11-12H2,1-3H3
InChIKeyOWFGLWOBCFFTGT-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (CID 171915283) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is Cc1cc(C)n(CC(C)NS(=O)(=O)c2ccc(-c3ccc(CO)cc3)s2)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is OWFGLWOBCFFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-13-10-15(3)22(20-13)11-14(2)21-27(24,25)19-9-8-18(26-19)17-6-4-16(12-23)5-7-17/h4-10,14,21,23H,11-12H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 405.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 171915283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).