N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide

C24H26BrNO3S — CID 3779849

IUPACN-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCC(C)c1cc(N(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C24H26BrNO3S/c1-16(2)22-14-20(15-23(17(3)4)24(22)27)26(19-12-10-18(25)11-13-19)30(28,29)21-8-6-5-7-9-21/h5-17,27H,1-4H3
InChIKeyBFMFBOWNKVKWIP-UHFFFAOYSA-N
MW488.45 g/mol
LogP6.93
Rot. Bonds6

About N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide

N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide (PubChem CID 3779849) has the molecular formula C24H26BrNO3S and a molecular weight of 488.45 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
PubChem CID3779849
Molecular FormulaC24H26BrNO3S
Molecular Weight488.45 g/mol
Exact Mass487.08
IUPAC NameN-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCC(C)c1cc(N(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C24H26BrNO3S/c1-16(2)22-14-20(15-23(17(3)4)24(22)27)26(19-12-10-18(25)11-13-19)30(28,29)21-8-6-5-7-9-21/h5-17,27H,1-4H3
InChIKeyBFMFBOWNKVKWIP-UHFFFAOYSA-N
XLogP6.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.45
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 141472327
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
CID 50893823
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864258

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide (CID 3779849) is N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide is CC(C)c1cc(N(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(C(C)C)c1O.
What is the InChIKey of N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is BFMFBOWNKVKWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO3S/c1-16(2)22-14-20(15-23(17(3)4)24(22)27)26(19-12-10-18(25)11-13-19)30(28,29)21-8-6-5-7-9-21/h5-17,27H,1-4H3.
What are the key properties of N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 488.45 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3779849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).