5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide

C14H20BrNO2S2 — CID 63422527

IUPAC5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Br)s1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H20BrNO2S2/c15-13-8-9-14(19-13)20(17,18)16(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2
InChIKeyQWSRNAOFSCJQLD-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide

5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide (PubChem CID 63422527) has the molecular formula C14H20BrNO2S2 and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide
PubChem CID63422527
Molecular FormulaC14H20BrNO2S2
Molecular Weight378.36 g/mol
Exact Mass377.01
IUPAC Name5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Br)s1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H20BrNO2S2/c15-13-8-9-14(19-13)20(17,18)16(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2
InChIKeyQWSRNAOFSCJQLD-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide (CID 63422527) is 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide is O=S(=O)(c1ccc(Br)s1)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide?
The InChIKey is QWSRNAOFSCJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S2/c15-13-8-9-14(19-13)20(17,18)16(12-6-7-12)10-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide?
5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide has a molecular weight of 378.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide is sourced from PubChem (CID 63422527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).