N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide

C12H16FNO3S — CID 935461

IUPACN-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyDRJDCRDNYNHPLO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.06
Rot. Bonds4

About N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide

N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 935461) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID935461
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyDRJDCRDNYNHPLO-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide
CID 71677774
4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 850123
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide (CID 935461) is N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCC2)ccc1F.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is DRJDCRDNYNHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide?
N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 935461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).