N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride

C18H25ClN4O2S — CID 120710800

IUPACN-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1
InChIInChI=1S/C18H24N4O2S.ClH/c19-11-17(14-7-3-1-4-8-14)22-25(23,24)16-12-20-18(21-13-16)15-9-5-2-6-10-15;/h2,5-6,9-10,12-14,17,22H,1,3-4,7-8,11,19H2;1H
InChIKeyDNRLKZVIHKKPOU-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.75
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride (PubChem CID 120710800) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
PubChem CID120710800
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1
InChIInChI=1S/C18H24N4O2S.ClH/c19-11-17(14-7-3-1-4-8-14)22-25(23,24)16-12-20-18(21-13-16)15-9-5-2-6-10-15;/h2,5-6,9-10,12-14,17,22H,1,3-4,7-8,11,19H2;1H
InChIKeyDNRLKZVIHKKPOU-UHFFFAOYSA-N
XLogP2.75
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride (CID 120710800) is N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is DNRLKZVIHKKPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c19-11-17(14-7-3-1-4-8-14)22-25(23,24)16-12-20-18(21-13-16)15-9-5-2-6-10-15;/h2,5-6,9-10,12-14,17,22H,1,3-4,7-8,11,19H2;1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).