2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide

C10H13Cl2NO3S2 — CID 104922455

IUPAC2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO3S2/c11-9-5-8(10(12)17-9)18(15,16)13-6-3-1-2-4-7(6)14/h5-7,13-14H,1-4H2/t6-,7-/m1/s1
InChIKeyPUZVBUGCPVYJOB-RNFRBKRXSA-N
MW330.26 g/mol
LogP2.64
Rot. Bonds3

About 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide

2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide (PubChem CID 104922455) has the molecular formula C10H13Cl2NO3S2 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide
PubChem CID104922455
Molecular FormulaC10H13Cl2NO3S2
Molecular Weight330.26 g/mol
Exact Mass328.97
IUPAC Name2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO3S2/c11-9-5-8(10(12)17-9)18(15,16)13-6-3-1-2-4-7(6)14/h5-7,13-14H,1-4H2/t6-,7-/m1/s1
InChIKeyPUZVBUGCPVYJOB-RNFRBKRXSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide (CID 104922455) is 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide is O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide?
The InChIKey is PUZVBUGCPVYJOB-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S2/c11-9-5-8(10(12)17-9)18(15,16)13-6-3-1-2-4-7(6)14/h5-7,13-14H,1-4H2/t6-,7-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide has a molecular weight of 330.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide is sourced from PubChem (CID 104922455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).