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

C18H22N2O5S2 — CID 2963217

IUPAC4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O5S2/c21-26(22,14-15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)27(23,24)19-13-17-7-4-12-25-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2
InChIKeySRRYGOWTWAOASC-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.09
Rot. Bonds8

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

4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2963217) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2963217
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O5S2/c21-26(22,14-15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)27(23,24)19-13-17-7-4-12-25-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2
InChIKeySRRYGOWTWAOASC-UHFFFAOYSA-N
XLogP2.09
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2963217) is 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SRRYGOWTWAOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c21-26(22,14-15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)27(23,24)19-13-17-7-4-12-25-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2.
What are the key properties of 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2963217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).