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

C19H25N3O2S — CID 113030177

IUPACN-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)cn2)c1
InChIInChI=1S/C19H25N3O2S/c1-15-7-6-10-18(13-15)25(23,24)22-19-12-11-17(14-20-19)21-16-8-4-2-3-5-9-16/h6-7,10-14,16,21H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyOEGCIYKRIRYTPS-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.33
Rot. Bonds5

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

N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113030177) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113030177
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)cn2)c1
InChIInChI=1S/C19H25N3O2S/c1-15-7-6-10-18(13-15)25(23,24)22-19-12-11-17(14-20-19)21-16-8-4-2-3-5-9-16/h6-7,10-14,16,21H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyOEGCIYKRIRYTPS-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
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-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
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
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319

Frequently Asked Questions

What is the IUPAC name of N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113030177) is N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)cn2)c1.
What is the InChIKey of N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is OEGCIYKRIRYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-7-6-10-18(13-15)25(23,24)22-19-12-11-17(14-20-19)21-16-8-4-2-3-5-9-16/h6-7,10-14,16,21H,2-5,8-9H2,1H3,(H,20,22).
What are the key properties of N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113030177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).