5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide

C13H20BrNO3S2 — CID 66929890

IUPAC5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-11(9-16)8-10-4-2-1-3-5-10/h6-7,10-11,15-16H,1-5,8-9H2/t11-/m0/s1
InChIKeyYWURDPYQQACDLJ-NSHDSACASA-N
MW382.35 g/mol
LogP3.12
Rot. Bonds6

About 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide

5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide (PubChem CID 66929890) has the molecular formula C13H20BrNO3S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide
PubChem CID66929890
Molecular FormulaC13H20BrNO3S2
Molecular Weight382.35 g/mol
Exact Mass381.01
IUPAC Name5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-11(9-16)8-10-4-2-1-3-5-10/h6-7,10-11,15-16H,1-5,8-9H2/t11-/m0/s1
InChIKeyYWURDPYQQACDLJ-NSHDSACASA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide (CID 66929890) is 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is YWURDPYQQACDLJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-11(9-16)8-10-4-2-1-3-5-10/h6-7,10-11,15-16H,1-5,8-9H2/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 382.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66929890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).