N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide

C12H18BrNO2S — CID 63373516

IUPACN-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-10(2)6-7-17(15,16)14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyHVUSHFPETKMIDJ-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.91
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide

N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide (PubChem CID 63373516) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
PubChem CID63373516
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC NameN-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-10(2)6-7-17(15,16)14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyHVUSHFPETKMIDJ-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979894
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
N-[(3-bromophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604294
N-[(4-cyanophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55261185
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide (CID 63373516) is N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide?
The InChIKey is HVUSHFPETKMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-10(2)6-7-17(15,16)14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide?
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide has a molecular weight of 320.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).