1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide

C13H19ClN2O2S — CID 63665951

IUPAC1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)CCl)cc2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-11-6-8-16(9-7-11)13-4-2-12(3-5-13)15-19(17,18)10-14/h2-5,11,15H,6-10H2,1H3
InChIKeyKYPDXLKCTREMQA-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.86
Rot. Bonds4

About 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide

1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide (PubChem CID 63665951) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
PubChem CID63665951
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)CCl)cc2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-11-6-8-16(9-7-11)13-4-2-12(3-5-13)15-19(17,18)10-14/h2-5,11,15H,6-10H2,1H3
InChIKeyKYPDXLKCTREMQA-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
CID 106062321
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide (CID 63665951) is 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide is CC1CCN(c2ccc(NS(=O)(=O)CCl)cc2)CC1.
What is the InChIKey of 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is KYPDXLKCTREMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11-6-8-16(9-7-11)13-4-2-12(3-5-13)15-19(17,18)10-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide?
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 63665951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).