N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide

C18H24ClNO2S — CID 24891141

IUPACN-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24ClNO2S/c1-12-16(19)3-2-4-17(12)23(21,22)20-11-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,20H,5-11H2,1H3
InChIKeyVHORNQRXBHLRBN-UHFFFAOYSA-N
MW353.92 g/mol
LogP4.14
Rot. Bonds4

About N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide

N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide (PubChem CID 24891141) has the molecular formula C18H24ClNO2S and a molecular weight of 353.92 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
PubChem CID24891141
Molecular FormulaC18H24ClNO2S
Molecular Weight353.92 g/mol
Exact Mass353.12
IUPAC NameN-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24ClNO2S/c1-12-16(19)3-2-4-17(12)23(21,22)20-11-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,20H,5-11H2,1H3
InChIKeyVHORNQRXBHLRBN-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294215
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 7937592
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
3-chloro-N-[3-(2-chlorophenyl)prop-2-ynyl]-2-methylbenzenesulfonamide
CID 90553007

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide (CID 24891141) is N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is VHORNQRXBHLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2S/c1-12-16(19)3-2-4-17(12)23(21,22)20-11-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,20H,5-11H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide?
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 353.92 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 24891141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).