4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide

C14H21ClN2O3S — CID 110440458

IUPAC4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)CN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-12(11-17-6-8-20-9-7-17)10-16-21(18,19)14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyIBFRDVMBLHYQCZ-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.59
Rot. Bonds6

About 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide

4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 110440458) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID110440458
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)CN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-12(11-17-6-8-20-9-7-17)10-16-21(18,19)14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyIBFRDVMBLHYQCZ-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60531038
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
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-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide (CID 110440458) is 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)cc1)CN1CCOCC1.
What is the InChIKey of 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is IBFRDVMBLHYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-12(11-17-6-8-20-9-7-17)10-16-21(18,19)14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide?
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110440458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).