3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide

C16H19ClN2O3S — CID 71910816

IUPAC3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(OC(C)C)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-11(2)22-16-8-13(6-7-18-16)10-19-23(20,21)14-5-4-12(3)15(17)9-14/h4-9,11,19H,10H2,1-3H3
InChIKeyVWDSKPXXQUQJEQ-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.31
Rot. Bonds6

About 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide

3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 71910816) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID71910816
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(OC(C)C)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-11(2)22-16-8-13(6-7-18-16)10-19-23(20,21)14-5-4-12(3)15(17)9-14/h4-9,11,19H,10H2,1-3H3
InChIKeyVWDSKPXXQUQJEQ-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 39655236
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 58108466
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide
CID 136558884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide (CID 71910816) is 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccnc(OC(C)C)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is VWDSKPXXQUQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-11(2)22-16-8-13(6-7-18-16)10-19-23(20,21)14-5-4-12(3)15(17)9-14/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide?
3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).