N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide

C17H22N2O4S2 — CID 110408296

IUPACN-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14(2)15-8-10-17(11-9-15)25(22,23)18-12-13-24(20,21)19-16-6-4-3-5-7-16/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyDHAISUMDGKZGBQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.53
Rot. Bonds8

About N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide

N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 110408296) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID110408296
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14(2)15-8-10-17(11-9-15)25(22,23)18-12-13-24(20,21)19-16-6-4-3-5-7-16/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyDHAISUMDGKZGBQ-UHFFFAOYSA-N
XLogP2.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
CID 110601397
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872

Frequently Asked Questions

What is the IUPAC name of N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide (CID 110408296) is N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DHAISUMDGKZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14(2)15-8-10-17(11-9-15)25(22,23)18-12-13-24(20,21)19-16-6-4-3-5-7-16/h3-11,14,18-19H,12-13H2,1-2H3.
What are the key properties of N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110408296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).