N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide

C20H21ClN4O2S — CID 122185749

IUPACN-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncncc2N)cc1
InChIInChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3
InChIKeyOEKSYTIEVKORHD-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.48
Rot. Bonds4

About N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide

N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide (PubChem CID 122185749) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
PubChem CID122185749
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncncc2N)cc1
InChIInChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3
InChIKeyOEKSYTIEVKORHD-UHFFFAOYSA-N
XLogP4.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(4-chloro-2-pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122185748
3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]-N,4-dimethylbenzenesulfonamide
CID 68305088
Rebalance
CID 451490
(4-Chloro-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353969
5-(2-aminopyrimidin-5-yl)-2-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 60155726
N-[2-(3-amino-2-pyridinyl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 122185741
N-[2-(3-aminopyrazin-2-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 122185750
N-[2-(2-amino-5-hydroxypyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 122185753
4-tert-butyl-N-[4-chloro-2-[3-(methylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
CID 122185761
4-tert-butyl-N-[4-chloro-2-[3-(ethylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
CID 122185762
4-tert-butyl-N-[4-chloro-2-[3-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
CID 122185763
4-tert-butyl-N-[4-chloro-2-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
CID 122185764

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide (CID 122185749) is N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncncc2N)cc1.
What is the InChIKey of N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is OEKSYTIEVKORHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3.
What are the key properties of N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 122185749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).