4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide

C17H27ClN2O3S — CID 55598693

IUPAC4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C17H27ClN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyHHDRYTDLYJTNEM-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.76
Rot. Bonds8

About 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide

4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide (PubChem CID 55598693) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
PubChem CID55598693
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C17H27ClN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyHHDRYTDLYJTNEM-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731
4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46582725
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939114
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide (CID 55598693) is 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide is CCC(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The InChIKey is HHDRYTDLYJTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide has a molecular weight of 374.93 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 55598693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).