N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H17N3O3S — CID 2710397

IUPACN-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H17N3O3S/c19-13-14-4-3-5-16(12-14)20-18(22)15-6-8-17(9-7-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyZKAHQOXAKLNYRU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.60
Rot. Bonds4

About N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2710397) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2710397
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H17N3O3S/c19-13-14-4-3-5-16(12-14)20-18(22)15-6-8-17(9-7-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyZKAHQOXAKLNYRU-UHFFFAOYSA-N
XLogP2.60
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-(azepan-1-ylsulfonyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 8923382
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2710397) is N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZKAHQOXAKLNYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-13-14-4-3-5-16(12-14)20-18(22)15-6-8-17(9-7-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 355.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2710397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).