N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide

C19H27N3O2S — CID 113024340

IUPACN-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-6-14(2)21-16-9-12-18(20-13-16)22-25(23,24)17-10-7-15(8-11-17)19(3,4)5/h7-14,21H,6H2,1-5H3,(H,20,22)
InChIKeyWTESCRHXHIXYFI-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.39
Rot. Bonds6

About N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide

N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide (PubChem CID 113024340) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
PubChem CID113024340
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-6-14(2)21-16-9-12-18(20-13-16)22-25(23,24)17-10-7-15(8-11-17)19(3,4)5/h7-14,21H,6H2,1-5H3,(H,20,22)
InChIKeyWTESCRHXHIXYFI-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide (CID 113024340) is N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is WTESCRHXHIXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-6-14(2)21-16-9-12-18(20-13-16)22-25(23,24)17-10-7-15(8-11-17)19(3,4)5/h7-14,21H,6H2,1-5H3,(H,20,22).
What are the key properties of N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide?
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 113024340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).