N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide

C14H16ClN3O2S — CID 103278267

IUPACN-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(2)7-11-3-5-12(6-4-11)21(19,20)18-14-9-16-13(15)8-17-14/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyMPKGAFHSJIKCML-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.13
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide

N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 103278267) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID103278267
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(2)7-11-3-5-12(6-4-11)21(19,20)18-14-9-16-13(15)8-17-14/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyMPKGAFHSJIKCML-UHFFFAOYSA-N
XLogP3.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 107596007
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide (CID 103278267) is N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is MPKGAFHSJIKCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10(2)7-11-3-5-12(6-4-11)21(19,20)18-14-9-16-13(15)8-17-14/h3-6,8-10H,7H2,1-2H3,(H,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 103278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).