N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H24N2O3S — CID 18146405

IUPACN-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-17(13-3-4-13)14-5-6-14)15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h7-10,13-14,17H,1-6,11-12H2,(H,19,21)
InChIKeyQHTALMYKTIDYKB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.39
Rot. Bonds6

About N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18146405) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18146405
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-17(13-3-4-13)14-5-6-14)15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h7-10,13-14,17H,1-6,11-12H2,(H,19,21)
InChIKeyQHTALMYKTIDYKB-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 18146406
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
4-(azepan-1-ylsulfonyl)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide
CID 98287722
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 18146405) is N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC(C1CC1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QHTALMYKTIDYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-18(19-17(13-3-4-13)14-5-6-14)15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h7-10,13-14,17H,1-6,11-12H2,(H,19,21).
What are the key properties of N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 348.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18146405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).