4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C17H17ClN2O4S — CID 997370

IUPAC4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyAHOFTLALAVJAKS-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 997370) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID997370
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyAHOFTLALAVJAKS-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
CID 126508711
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CID 1107106
4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
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2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
4-chloro-N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2812624
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155518447
4-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
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2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 997370) is 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is AHOFTLALAVJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 380.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 997370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).