N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide

C16H20BrNO2S — CID 103521261

IUPACN-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2S/c1-16(2,3)8-9-21(19,20)18-15-7-5-12-10-14(17)6-4-13(12)11-15/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySJZUCRNRINPGCK-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.78
Rot. Bonds4

About N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide

N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521261) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521261
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC NameN-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2S/c1-16(2,3)8-9-21(19,20)18-15-7-5-12-10-14(17)6-4-13(12)11-15/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySJZUCRNRINPGCK-UHFFFAOYSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
CID 114808909
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
3,3-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]butane-1-sulfonamide
CID 106911409
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103521261) is N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is SJZUCRNRINPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-16(2,3)8-9-21(19,20)18-15-7-5-12-10-14(17)6-4-13(12)11-15/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 370.31 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).