N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C16H17N3O3S — CID 119055344

IUPACN-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccnc2)cc1)N1CCCC1
InChIInChI=1S/C16H17N3O3S/c20-16(19-10-1-2-11-19)13-5-7-15(8-6-13)23(21,22)18-14-4-3-9-17-12-14/h3-9,12,18H,1-2,10-11H2
InChIKeyOSWFNNJKVWCVHT-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds4

About N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 119055344) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID119055344
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccnc2)cc1)N1CCCC1
InChIInChI=1S/C16H17N3O3S/c20-16(19-10-1-2-11-19)13-5-7-15(8-6-13)23(21,22)18-14-4-3-9-17-12-14/h3-9,12,18H,1-2,10-11H2
InChIKeyOSWFNNJKVWCVHT-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 119349414
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-(1,4-diazepane-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119415914
4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide
CID 7040269
2-(5-methylpyridine-3-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70746508

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 119055344) is N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2cccnc2)cc1)N1CCCC1.
What is the InChIKey of N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is OSWFNNJKVWCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(19-10-1-2-11-19)13-5-7-15(8-6-13)23(21,22)18-14-4-3-9-17-12-14/h3-9,12,18H,1-2,10-11H2.
What are the key properties of N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119055344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).