5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride

C17H19ClN2O3S — CID 2760042

IUPAC5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride
SMILESCC1CCN(C(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-10-20(11-9-12)17(21)19-15-6-2-5-14-13(15)4-3-7-16(14)24(18,22)23/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeySDEJEUREUXVSOH-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.03
Rot. Bonds2

About 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride

5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride (PubChem CID 2760042) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride
PubChem CID2760042
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride
SMILESCC1CCN(C(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-10-20(11-9-12)17(21)19-15-6-2-5-14-13(15)4-3-7-16(14)24(18,22)23/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeySDEJEUREUXVSOH-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 115581860
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid
CID 79159609
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride (CID 2760042) is 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride is CC1CCN(C(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)CC1.
What is the InChIKey of 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride?
The InChIKey is SDEJEUREUXVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-8-10-20(11-9-12)17(21)19-15-6-2-5-14-13(15)4-3-7-16(14)24(18,22)23/h2-7,12H,8-11H2,1H3,(H,19,21).
What are the key properties of 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride?
5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride has a molecular weight of 366.87 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 2760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).