3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide

C15H23ClN2O3S — CID 32683344

IUPAC3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)15(18-6-8-21-9-7-18)11-17-22(19,20)14-5-3-4-13(16)10-14/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyGPAUTSKQYCQHJB-OAHLLOKOSA-N
MW346.88 g/mol
LogP1.98
Rot. Bonds6

About 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide

3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide (PubChem CID 32683344) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
PubChem CID32683344
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)15(18-6-8-21-9-7-18)11-17-22(19,20)14-5-3-4-13(16)10-14/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyGPAUTSKQYCQHJB-OAHLLOKOSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide (CID 32683344) is 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide is CC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The InChIKey is GPAUTSKQYCQHJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12(2)15(18-6-8-21-9-7-18)11-17-22(19,20)14-5-3-4-13(16)10-14/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide is sourced from PubChem (CID 32683344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).