N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide

C14H16N4O2S — CID 142660407

IUPACN-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CCC1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-12-3-1-4-12)13-7-5-11(6-8-13)17-14-15-9-2-10-16-14/h2,5-10,12,18H,1,3-4H2,(H,15,16,17)
InChIKeyLPGFBCDPNQSSDR-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.05
Rot. Bonds5

About N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide

N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide (PubChem CID 142660407) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
PubChem CID142660407
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CCC1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-12-3-1-4-12)13-7-5-11(6-8-13)17-14-15-9-2-10-16-14/h2,5-10,12,18H,1,3-4H2,(H,15,16,17)
InChIKeyLPGFBCDPNQSSDR-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68882403
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
6-amino-N-cyclobutylpyridine-3-sulfonamide
CID 62414646
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The IUPAC name of N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide (CID 142660407) is N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide is O=S(=O)(NC1CCC1)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The InChIKey is LPGFBCDPNQSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,18-12-3-1-4-12)13-7-5-11(6-8-13)17-14-15-9-2-10-16-14/h2,5-10,12,18H,1,3-4H2,(H,15,16,17).
What are the key properties of N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 142660407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).