N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide

C17H21N3O2S — CID 113024541

IUPACN-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-5-4-8-16(11-13)23(21,22)20-17-10-9-15(12-18-17)19-14-6-2-3-7-14/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyRWUQKANZTHMIOT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.55
Rot. Bonds5

About N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide

N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113024541) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113024541
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-5-4-8-16(11-13)23(21,22)20-17-10-9-15(12-18-17)19-14-6-2-3-7-14/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyRWUQKANZTHMIOT-UHFFFAOYSA-N
XLogP3.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113024541) is N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)c1.
What is the InChIKey of N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is RWUQKANZTHMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-5-4-8-16(11-13)23(21,22)20-17-10-9-15(12-18-17)19-14-6-2-3-7-14/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113024541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).