N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide

C15H23NO4S2 — CID 87024719

IUPACN-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H23NO4S2/c1-3-16(13-7-5-6-8-13)22(19,20)15-11-9-14(10-12-15)21(17,18)4-2/h9-13H,3-8H2,1-2H3
InChIKeyTVDUMDMMTZFVTE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.43
Rot. Bonds6

About N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide

N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide (PubChem CID 87024719) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
PubChem CID87024719
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC NameN-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H23NO4S2/c1-3-16(13-7-5-6-8-13)22(19,20)15-11-9-14(10-12-15)21(17,18)4-2/h9-13H,3-8H2,1-2H3
InChIKeyTVDUMDMMTZFVTE-UHFFFAOYSA-N
XLogP2.43
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide (CID 87024719) is N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide?
The InChIKey is TVDUMDMMTZFVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-3-16(13-7-5-6-8-13)22(19,20)15-11-9-14(10-12-15)21(17,18)4-2/h9-13H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide?
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide is sourced from PubChem (CID 87024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).