4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

C15H18ClN5O2S — CID 54580034

IUPAC4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H18ClN5O2S/c16-12-3-1-11(2-4-12)14-5-8-18-15(20-14)19-13-6-9-21(10-7-13)24(17,22)23/h1-5,8,13H,6-7,9-10H2,(H2,17,22,23)(H,18,19,20)
InChIKeyGYDNRCSRFZVIPA-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.88
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (PubChem CID 54580034) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
PubChem CID54580034
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H18ClN5O2S/c16-12-3-1-11(2-4-12)14-5-8-18-15(20-14)19-13-6-9-21(10-7-13)24(17,22)23/h1-5,8,13H,6-7,9-10H2,(H2,17,22,23)(H,18,19,20)
InChIKeyGYDNRCSRFZVIPA-UHFFFAOYSA-N
XLogP1.88
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (CID 54580034) is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The InChIKey is GYDNRCSRFZVIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c16-12-3-1-11(2-4-12)14-5-8-18-15(20-14)19-13-6-9-21(10-7-13)24(17,22)23/h1-5,8,13H,6-7,9-10H2,(H2,17,22,23)(H,18,19,20).
What are the key properties of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide has a molecular weight of 367.86 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is sourced from PubChem (CID 54580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).