N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide

C18H16N6O2S — CID 139233189

IUPACN-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3nc4ccccc4[nH]3)c(N)n2)cc1
InChIInChI=1S/C18H16N6O2S/c1-11-6-8-12(9-7-11)27(25,26)24-18-20-10-13(16(19)23-18)17-21-14-4-2-3-5-15(14)22-17/h2-10H,1H3,(H,21,22)(H3,19,20,23,24)
InChIKeyVCCWUDWXCXBICD-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.71
Rot. Bonds4

About N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide

N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 139233189) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
PubChem CID139233189
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC NameN-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3nc4ccccc4[nH]3)c(N)n2)cc1
InChIInChI=1S/C18H16N6O2S/c1-11-6-8-12(9-7-11)27(25,26)24-18-20-10-13(16(19)23-18)17-21-14-4-2-3-5-15(14)22-17/h2-10H,1H3,(H,21,22)(H3,19,20,23,24)
InChIKeyVCCWUDWXCXBICD-UHFFFAOYSA-N
XLogP2.71
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-butoxybenzenesulfonamide
CID 3797349
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 59191080
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789530
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
CID 100580950
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide (CID 139233189) is N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3nc4ccccc4[nH]3)c(N)n2)cc1.
What is the InChIKey of N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is VCCWUDWXCXBICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-11-6-8-12(9-7-11)27(25,26)24-18-20-10-13(16(19)23-18)17-21-14-4-2-3-5-15(14)22-17/h2-10H,1H3,(H,21,22)(H3,19,20,23,24).
What are the key properties of N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide?
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139233189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).