3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

C17H26Cl2N2O2S — CID 10715573

IUPAC3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H26Cl2N2O2S/c1-13-6-9-21(10-7-13)11-8-14(2)20(3)24(22,23)15-4-5-16(18)17(19)12-15/h4-5,12-14H,6-11H2,1-3H3/t14-/m1/s1
InChIKeyZVZBMRUPOUQIJT-CQSZACIVSA-N
MW393.38 g/mol
LogP4.12
Rot. Bonds6

About 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 10715573) has the molecular formula C17H26Cl2N2O2S and a molecular weight of 393.38 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID10715573
Molecular FormulaC17H26Cl2N2O2S
Molecular Weight393.38 g/mol
Exact Mass392.11
IUPAC Name3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H26Cl2N2O2S/c1-13-6-9-21(10-7-13)11-8-14(2)20(3)24(22,23)15-4-5-16(18)17(19)12-15/h4-5,12-14H,6-11H2,1-3H3/t14-/m1/s1
InChIKeyZVZBMRUPOUQIJT-CQSZACIVSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide (CID 10715573) is 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide is CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is ZVZBMRUPOUQIJT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2S/c1-13-6-9-21(10-7-13)11-8-14(2)20(3)24(22,23)15-4-5-16(18)17(19)12-15/h4-5,12-14H,6-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 393.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).