4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H18ClNO3S — CID 2939658

IUPAC4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c18-15-7-3-13(4-8-15)14-5-9-17(10-6-14)23(20,21)19-12-16-2-1-11-22-16/h3-10,16,19H,1-2,11-12H2
InChIKeyFJIPATIWDIHOPO-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.46
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2939658) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2939658
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c18-15-7-3-13(4-8-15)14-5-9-17(10-6-14)23(20,21)19-12-16-2-1-11-22-16/h3-10,16,19H,1-2,11-12H2
InChIKeyFJIPATIWDIHOPO-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 168527242
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2939658) is 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is FJIPATIWDIHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-15-7-3-13(4-8-15)14-5-9-17(10-6-14)23(20,21)19-12-16-2-1-11-22-16/h3-10,16,19H,1-2,11-12H2.
What are the key properties of 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2939658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).