3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide

C16H17ClN2O3S — CID 55891569

IUPAC3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c17-13-3-1-6-16(11-13)23(20,21)18-14-4-2-5-15(12-14)19-7-9-22-10-8-19/h1-6,11-12,18H,7-10H2
InChIKeyISWQMRBKWBPXQV-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.98
Rot. Bonds4

About 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide

3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 55891569) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID55891569
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c17-13-3-1-6-16(11-13)23(20,21)18-14-4-2-5-15(12-14)19-7-9-22-10-8-19/h1-6,11-12,18H,7-10H2
InChIKeyISWQMRBKWBPXQV-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzenesulfonamide
CID 113025354
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
3-chloro-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 39841814
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (CID 55891569) is 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is ISWQMRBKWBPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-13-3-1-6-16(11-13)23(20,21)18-14-4-2-5-15(12-14)19-7-9-22-10-8-19/h1-6,11-12,18H,7-10H2.
What are the key properties of 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 352.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 55891569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).