N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide

C22H21ClN4O2S — CID 25134569

IUPACN-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H21ClN4O2S/c1-22(2,3)15-8-10-17(11-9-15)30(28,29)26-19-12-16(23)13-24-21(19)27-14-25-18-6-4-5-7-20(18)27/h4-14,26H,1-3H3
InChIKeyFILGNSYCTQYEDZ-UHFFFAOYSA-N
MW440.96 g/mol
LogP5.17
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide

N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide (PubChem CID 25134569) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
PubChem CID25134569
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC NameN-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H21ClN4O2S/c1-22(2,3)15-8-10-17(11-9-15)30(28,29)26-19-12-16(23)13-24-21(19)27-14-25-18-6-4-5-7-20(18)27/h4-14,26H,1-3H3
InChIKeyFILGNSYCTQYEDZ-UHFFFAOYSA-N
XLogP5.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.96
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide (CID 25134569) is N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is FILGNSYCTQYEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c1-22(2,3)15-8-10-17(11-9-15)30(28,29)26-19-12-16(23)13-24-21(19)27-14-25-18-6-4-5-7-20(18)27/h4-14,26H,1-3H3.
What are the key properties of N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 440.96 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 25134569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).