N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide

C17H22ClNO2S — CID 19575240

IUPACN-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO2S/c18-15-1-3-16(4-2-15)22(20,21)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyHMOURLFNYMGUBI-UHFFFAOYSA-N
MW339.89 g/mol
LogP3.83
Rot. Bonds4

About N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide

N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide (PubChem CID 19575240) has the molecular formula C17H22ClNO2S and a molecular weight of 339.89 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
PubChem CID19575240
Molecular FormulaC17H22ClNO2S
Molecular Weight339.89 g/mol
Exact Mass339.11
IUPAC NameN-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO2S/c18-15-1-3-16(4-2-15)22(20,21)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyHMOURLFNYMGUBI-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
4-(1-adamantylmethylsulfamoyl)benzamide
CID 86911830
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
CID 4840253
4-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
3-[[(4-chlorophenyl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166273610
1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
CID 10217321

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide (CID 19575240) is N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide is O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide?
The InChIKey is HMOURLFNYMGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2S/c18-15-1-3-16(4-2-15)22(20,21)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2.
What are the key properties of N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide?
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide has a molecular weight of 339.89 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 19575240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).