N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide

C15H19NO3S2 — CID 97108754

IUPACN-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)sc1C
InChIInChI=1S/C15H19NO3S2/c1-11-9-15(20-13(11)3)21(18,19)16(10-12(2)17)14-7-5-4-6-8-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeyJGGCEOMUUBYSOY-GFCCVEGCSA-N
MW325.46 g/mol
LogP2.94
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide

N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide (PubChem CID 97108754) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
PubChem CID97108754
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)sc1C
InChIInChI=1S/C15H19NO3S2/c1-11-9-15(20-13(11)3)21(18,19)16(10-12(2)17)14-7-5-4-6-8-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeyJGGCEOMUUBYSOY-GFCCVEGCSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide (CID 97108754) is N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)sc1C.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide?
The InChIKey is JGGCEOMUUBYSOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-11-9-15(20-13(11)3)21(18,19)16(10-12(2)17)14-7-5-4-6-8-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide?
N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 97108754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).