N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide

C15H22FNO3S — CID 850128

IUPACN-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
InChIInChI=1S/C15H22FNO3S/c1-2-20-15-11-13(9-10-14(15)16)21(18,19)17-12-7-5-3-4-6-8-12/h9-12,17H,2-8H2,1H3
InChIKeyZJUOLARXDHEVRS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.23
Rot. Bonds5

About N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide

N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide (PubChem CID 850128) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide
PubChem CID850128
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
InChIInChI=1S/C15H22FNO3S/c1-2-20-15-11-13(9-10-14(15)16)21(18,19)17-12-7-5-3-4-6-8-12/h9-12,17H,2-8H2,1H3
InChIKeyZJUOLARXDHEVRS-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
(3S)-9-fluoro-3-(2-methylpropyl)-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 46902221
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
Methyl {4-[(cycloheptylamino)sulfonyl]phenoxy}acetate
CID 893472
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
1-[(3-Ethoxy-4-fluorophenyl)sulfonyl]azepane
CID 935230
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide?
The IUPAC name of N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide (CID 850128) is N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F.
What is the InChIKey of N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide?
The InChIKey is ZJUOLARXDHEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-2-20-15-11-13(9-10-14(15)16)21(18,19)17-12-7-5-3-4-6-8-12/h9-12,17H,2-8H2,1H3.
What are the key properties of N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide?
N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-ethoxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 850128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).