1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid

C13H17NO4S — CID 117455529

IUPAC1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C13H17NO4S/c1-19(17,18)14-11-6-4-5-10(9-11)13(12(15)16)7-2-3-8-13/h4-6,9,14H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyGCDZCJUWQNMKIR-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid

1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117455529) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117455529
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C13H17NO4S/c1-19(17,18)14-11-6-4-5-10(9-11)13(12(15)16)7-2-3-8-13/h4-6,9,14H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyGCDZCJUWQNMKIR-UHFFFAOYSA-N
XLogP1.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
CID 117353694
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-(3-methyl-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117453832
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 66684591
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid
CID 117410310
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid (CID 117455529) is 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid is CS(=O)(=O)Nc1cccc(C2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is GCDZCJUWQNMKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19(17,18)14-11-6-4-5-10(9-11)13(12(15)16)7-2-3-8-13/h4-6,9,14H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid?
1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117455529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).