N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide

C22H25N3O2S — CID 113018175

IUPACN-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1
InChIInChI=1S/C22H25N3O2S/c1-16-6-5-7-20(14-16)28(26,27)25-19-12-13-21(23-15-19)24-18-10-8-17(9-11-18)22(2,3)4/h5-15,25H,1-4H3,(H,23,24)
InChIKeySNHSCBYJTIWCAP-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.23
Rot. Bonds5

About N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide

N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113018175) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113018175
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1
InChIInChI=1S/C22H25N3O2S/c1-16-6-5-7-20(14-16)28(26,27)25-19-12-13-21(23-15-19)24-18-10-8-17(9-11-18)22(2,3)4/h5-15,25H,1-4H3,(H,23,24)
InChIKeySNHSCBYJTIWCAP-UHFFFAOYSA-N
XLogP5.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide (CID 113018175) is N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1.
What is the InChIKey of N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is SNHSCBYJTIWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-16-6-5-7-20(14-16)28(26,27)25-19-12-13-21(23-15-19)24-18-10-8-17(9-11-18)22(2,3)4/h5-15,25H,1-4H3,(H,23,24).
What are the key properties of N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113018175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).