N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide

C14H23N3O4S2 — CID 119977448

IUPACN-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCC1CCNC1
InChIInChI=1S/C14H23N3O4S2/c18-22(19,16-9-7-13-6-8-15-12-13)11-10-17-23(20,21)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2
InChIKeySHZXHMJKCRUMLT-UHFFFAOYSA-N
MW361.49 g/mol
LogP-0.12
Rot. Bonds9

About N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide

N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 119977448) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID119977448
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC NameN-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCC1CCNC1
InChIInChI=1S/C14H23N3O4S2/c18-22(19,16-9-7-13-6-8-15-12-13)11-10-17-23(20,21)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2
InChIKeySHZXHMJKCRUMLT-UHFFFAOYSA-N
XLogP-0.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119964620
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide (CID 119977448) is N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide is O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCC1CCNC1.
What is the InChIKey of N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is SHZXHMJKCRUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c18-22(19,16-9-7-13-6-8-15-12-13)11-10-17-23(20,21)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2.
What are the key properties of N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide?
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 361.49 g/mol, XLogP of -0.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 119977448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).