N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C17H20BrNOS — CID 89462500

IUPACN-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3
InChIKeyHSEZKYHCKQATFU-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.59
Rot. Bonds4

About N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 89462500) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID89462500
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3
InChIKeyHSEZKYHCKQATFU-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[(S)-(3-amino-4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 118355988
2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
CID 102392141
N-[(1R,2R)-1,2-bis(4-bromophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 53241861
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
N-[(1S,2R)-1-(benzhydrylideneamino)-1-(4-bromophenyl)-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 164702773
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(S)-(2-amino-5-bromophenyl)-(4-chlorophenyl)methyl]-2-methylpropane-2-sulfinamide
CID 125499855
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
CID 58048573
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 89462500) is N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HSEZKYHCKQATFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3.
What are the key properties of N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 366.32 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89462500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).