5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C16H25ClN2O2S — CID 16887571

IUPAC5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)16-10-15(17)5-4-13(16)3/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyMMZAVCUAKVSBKN-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.05
Rot. Bonds5

About 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887571) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887571
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)16-10-15(17)5-4-13(16)3/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyMMZAVCUAKVSBKN-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 47171265
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887576
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887571) is 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is MMZAVCUAKVSBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)16-10-15(17)5-4-13(16)3/h4-5,10,12,14,18H,6-9,11H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 344.91 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).