4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

C16H28ClN3O4S2 — CID 119977075

IUPAC4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-2-3-12-24(20,21)19-15-4-6-16(7-5-15)25(22,23)18-11-9-14-8-10-17-13-14;/h4-7,14,17-19H,2-3,8-13H2,1H3;1H
InChIKeyJJAQBWDJUNBFBR-UHFFFAOYSA-N
MW426.00 g/mol
LogP1.93
Rot. Bonds10

About 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119977075) has the molecular formula C16H28ClN3O4S2 and a molecular weight of 426.00 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119977075
Molecular FormulaC16H28ClN3O4S2
Molecular Weight426.00 g/mol
Exact Mass425.12
IUPAC Name4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-2-3-12-24(20,21)19-15-4-6-16(7-5-15)25(22,23)18-11-9-14-8-10-17-13-14;/h4-7,14,17-19H,2-3,8-13H2,1H3;1H
InChIKeyJJAQBWDJUNBFBR-UHFFFAOYSA-N
XLogP1.93
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
3-bromo-4-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977238
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119977075) is 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is JJAQBWDJUNBFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S2.ClH/c1-2-3-12-24(20,21)19-15-4-6-16(7-5-15)25(22,23)18-11-9-14-8-10-17-13-14;/h4-7,14,17-19H,2-3,8-13H2,1H3;1H.
What are the key properties of 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119977075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).