2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide

C18H22ClN3O2S — CID 113030186

IUPAC2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-16-9-5-6-10-17(16)25(23,24)22-18-12-11-15(13-20-18)21-14-7-3-1-2-4-8-14/h5-6,9-14,21H,1-4,7-8H2,(H,20,22)
InChIKeyCQWZDTPQQCNMNH-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.67
Rot. Bonds5

About 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide

2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113030186) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113030186
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-16-9-5-6-10-17(16)25(23,24)22-18-12-11-15(13-20-18)21-14-7-3-1-2-4-8-14/h5-6,9-14,21H,1-4,7-8H2,(H,20,22)
InChIKeyCQWZDTPQQCNMNH-UHFFFAOYSA-N
XLogP4.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide (CID 113030186) is 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is CQWZDTPQQCNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c19-16-9-5-6-10-17(16)25(23,24)22-18-12-11-15(13-20-18)21-14-7-3-1-2-4-8-14/h5-6,9-14,21H,1-4,7-8H2,(H,20,22).
What are the key properties of 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).