4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide

C17H19ClN2O3S — CID 112981235

IUPAC4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCC2CCCO2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h3-10,16,19-20H,1-2,11-12H2
InChIKeyYSAXNNPNWQYTFW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.73
Rot. Bonds6

About 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide

4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112981235) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112981235
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCC2CCCO2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h3-10,16,19-20H,1-2,11-12H2
InChIKeyYSAXNNPNWQYTFW-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112981267
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880224
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
1-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 4680841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112981235) is 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCC2CCCO2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is YSAXNNPNWQYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h3-10,16,19-20H,1-2,11-12H2.
What are the key properties of 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).