N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide

C14H20BrNO2S — CID 10991597

IUPACN-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m0/s1
InChIKeyPCKHNNAQTBNCBG-KBPBESRZSA-N
MW346.29 g/mol
LogP3.41
Rot. Bonds4

About N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide

N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 10991597) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID10991597
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m0/s1
InChIKeyPCKHNNAQTBNCBG-KBPBESRZSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000636
(R,R) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000637
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
(+,-) Cis-Propane-2-sulfonic Acid [2-(3-fluoro-phenyl)-cyclopentyl]-amide
CID 10935011
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953
(+,-) Cis-propane-2-sulfonic Acid (2-p-bromophenyl-cyclopentyl)-amide
CID 11121532
(+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-cyclopentyl]-amide
CID 11782933
(+/-) Propane-2-sulfonic acid [2-(3,4-difluoro-phenyl)-cyclopentyl]-amide
CID 10968688
cis-[(Methylethyl)sulfonyl](2-phenylcyclopentyl)amine
CID 11119059
N-(2-(4-Bromophenyl)propyl)propane-2-sulfonamide
CID 9927066
N-[(1R,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide
CID 10882513
N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]propane-2-sulfonamide
CID 10913105

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide (CID 10991597) is N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is PCKHNNAQTBNCBG-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide?
N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(4-bromophenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 10991597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).