N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C27H32N4O2S — CID 134815426

IUPACN-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)c(C(C)C)c1
InChIInChI=1S/C27H32N4O2S/c1-17(2)21-13-24(18(3)4)27(25(14-21)19(5)6)34(32,33)31-23-11-12-29-26(15-23)30-22-9-7-20(16-28)8-10-22/h7-15,17-19H,1-6H3,(H2,29,30,31)
InChIKeyFZNXDIIVOOGVLQ-UHFFFAOYSA-N
MW476.65 g/mol
LogP6.87
Rot. Bonds8

About N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 134815426) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID134815426
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)c(C(C)C)c1
InChIInChI=1S/C27H32N4O2S/c1-17(2)21-13-24(18(3)4)27(25(14-21)19(5)6)34(32,33)31-23-11-12-29-26(15-23)30-22-9-7-20(16-28)8-10-22/h7-15,17-19H,1-6H3,(H2,29,30,31)
InChIKeyFZNXDIIVOOGVLQ-UHFFFAOYSA-N
XLogP6.87
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(Pyridin-2-yl) arylsulfonamide, 28
CID 12002968
4-[[4-[4-(2-Cyanopropyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270795
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
2,4,6-trimethyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenesulfonamide
CID 1477573
4-{4-[4-(2-Cyano-vinyl)-2-isopropyl-6-methyl-phenylamino]-pyrimidin-2-ylamino}-benzonitrile
CID 16723684
4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-benzonitrile
CID 44354030
4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
CID 71579869
6-[[1-(4-Phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 145985518
6-[[1-(4-Tert-butylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 145985921
4-[2-[[2-(4-cyanoanilino)-6-[4-[(E)-2-cyanoethenyl]anilino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 145990526
N-[2-(4-cyanoanilino)pyrimidin-4-yl]-N-[4-(4-cyanophenyl)-2,6-difluorophenyl]ethanesulfonamide
CID 164627255
4'-(6-Amino-4-cyanopyridin-3-yl)-N-tert-butyl-3'-fluorobiphenyl-2-sulfonamide
CID 90313546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 134815426) is N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)c(C(C)C)c1.
What is the InChIKey of N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is FZNXDIIVOOGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-17(2)21-13-24(18(3)4)27(25(14-21)19(5)6)34(32,33)31-23-11-12-29-26(15-23)30-22-9-7-20(16-28)8-10-22/h7-15,17-19H,1-6H3,(H2,29,30,31).
What are the key properties of N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 476.65 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)-4-pyridinyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 134815426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).