4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 119534198

IUPAC4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-6-4-14(5-7-15)16(21)19-11-9-13-8-10-18-12-13;/h4-7,13,18,20H,8-12H2,1-3H3,(H,19,21);1H
InChIKeyBFKNORRYLXWJBI-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.91
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534198) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534198
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-6-4-14(5-7-15)16(21)19-11-9-13-8-10-18-12-13;/h4-7,13,18,20H,8-12H2,1-3H3,(H,19,21);1H
InChIKeyBFKNORRYLXWJBI-UHFFFAOYSA-N
XLogP1.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534198) is 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is BFKNORRYLXWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-6-4-14(5-7-15)16(21)19-11-9-13-8-10-18-12-13;/h4-7,13,18,20H,8-12H2,1-3H3,(H,19,21);1H.
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).