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

C18H25N3O3S — CID 9465917

IUPACN-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S/c22-18(20-19-16-7-3-1-2-4-8-16)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h9-12H,1-8,13-14H2,(H,20,22)
InChIKeyDDLYMSUFXUIPKF-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.91
Rot. Bonds4

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

N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9465917) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9465917
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S/c22-18(20-19-16-7-3-1-2-4-8-16)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h9-12H,1-8,13-14H2,(H,20,22)
InChIKeyDDLYMSUFXUIPKF-UHFFFAOYSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylcyclohexylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466003
ethyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(cyclododecylideneamino)benzamide
CID 4147051

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9465917) is N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NN=C1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DDLYMSUFXUIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-18(20-19-16-7-3-1-2-4-8-16)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h9-12H,1-8,13-14H2,(H,20,22).
What are the key properties of N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 363.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9465917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).