1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

C16H19N5O3S — CID 166173003

IUPAC1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)CCCC1
InChIInChI=1S/C16H19N5O3S/c17-14(22)16(8-1-2-9-16)13-7-10-19-15(21-13)20-11-3-5-12(6-4-11)25(18,23)24/h3-7,10H,1-2,8-9H2,(H2,17,22)(H2,18,23,24)(H,19,20,21)
InChIKeyGWWUIGOZAQSUJC-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.16
Rot. Bonds5

About 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 166173003) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
PubChem CID166173003
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)CCCC1
InChIInChI=1S/C16H19N5O3S/c17-14(22)16(8-1-2-9-16)13-7-10-19-15(21-13)20-11-3-5-12(6-4-11)25(18,23)24/h3-7,10H,1-2,8-9H2,(H2,17,22)(H2,18,23,24)(H,19,20,21)
InChIKeyGWWUIGOZAQSUJC-UHFFFAOYSA-N
XLogP1.16
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173039
N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173014
1-N'-(4-fluorophenyl)-1-N'-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 165176697
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 159864897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (CID 166173003) is 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is NC(=O)C1(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)CCCC1.
What is the InChIKey of 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is GWWUIGOZAQSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c17-14(22)16(8-1-2-9-16)13-7-10-19-15(21-13)20-11-3-5-12(6-4-11)25(18,23)24/h3-7,10H,1-2,8-9H2,(H2,17,22)(H2,18,23,24)(H,19,20,21).
What are the key properties of 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 166173003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).