cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H16ClNO4S — CID 106321490

IUPACcis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16ClNO4S/c1-8-2-4-10(14)7-12(8)20(18,19)15-11-5-3-9(6-11)13(16)17/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyRMWZGJCOHZOTDI-KOLCDFICSA-N
MW317.79 g/mol
LogP2.18
Rot. Bonds4

About cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321490) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID106321490
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Namecis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16ClNO4S/c1-8-2-4-10(14)7-12(8)20(18,19)15-11-5-3-9(6-11)13(16)17/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyRMWZGJCOHZOTDI-KOLCDFICSA-N
XLogP2.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321577
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
(1S,5R)-5-[(5-chloro-2-methylphenyl)sulfonylamino]cyclohex-3-ene-1-carboxylic acid
CID 166249931
3-[(4-chloro-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042577
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
3-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030564
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 106321490) is cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RMWZGJCOHZOTDI-KOLCDFICSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-8-2-4-10(14)7-12(8)20(18,19)15-11-5-3-9(6-11)13(16)17/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,17)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 317.79 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).