N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine

C15H17ClN4O3S — CID 143003266

IUPACN-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine
SMILESO=S(=O)(c1ccccc1Nc1nc(NO)ncc1Cl)C1CCCC1
InChIInChI=1S/C15H17ClN4O3S/c16-11-9-17-15(20-21)19-14(11)18-12-7-3-4-8-13(12)24(22,23)10-5-1-2-6-10/h3-4,7-10,21H,1-2,5-6H2,(H2,17,18,19,20)
InChIKeyWVZGOEXZJMFPPS-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.39
Rot. Bonds5

About N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine

N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine (PubChem CID 143003266) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine
PubChem CID143003266
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC NameN-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine
SMILESO=S(=O)(c1ccccc1Nc1nc(NO)ncc1Cl)C1CCCC1
InChIInChI=1S/C15H17ClN4O3S/c16-11-9-17-15(20-21)19-14(11)18-12-7-3-4-8-13(12)24(22,23)10-5-1-2-6-10/h3-4,7-10,21H,1-2,5-6H2,(H2,17,18,19,20)
InChIKeyWVZGOEXZJMFPPS-UHFFFAOYSA-N
XLogP3.39
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[[5-chloro-4-(2-cyclohexylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxyphenyl]-morpholin-4-ylmethanone
CID 58235658
5-chloro-4-N-(2-cyclobutylsulfonylphenyl)-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 71764055
5-chloro-4-N-(2-cyclohexylsulfonylphenyl)-2-N-[2-ethoxy-4-(1-ethylpyrrolidin-3-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 11692889
5-chloro-4-N-(2-cyclobutylsulfonylphenyl)-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine
CID 25159617
5-chloro-4-N-(2-ethylsulfonylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 58748506
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
5-chloro-2-N-cyclopentyl-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 71006827
5-chloro-2-N-methyl-4-N-(2-pentan-3-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58748507
7-[[5-chloro-2-(hydroxyamino)pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one
CID 143189469
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]benzoic acid
CID 155549635
7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 127032117
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 127031879

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine?
The IUPAC name of N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine (CID 143003266) is N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine.
What is the SMILES notation for N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine?
The canonical SMILES for N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine is O=S(=O)(c1ccccc1Nc1nc(NO)ncc1Cl)C1CCCC1.
What is the InChIKey of N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine?
The InChIKey is WVZGOEXZJMFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c16-11-9-17-15(20-21)19-14(11)18-12-7-3-4-8-13(12)24(22,23)10-5-1-2-6-10/h3-4,7-10,21H,1-2,5-6H2,(H2,17,18,19,20).
What are the key properties of N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine?
N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine has a molecular weight of 368.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine is sourced from PubChem (CID 143003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).