(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C16H17BrN2O2S — CID 34918768

IUPAC(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1Br
InChIInChI=1S/C16H17BrN2O2S/c1-11-8-13-9-14(22(18,20)21)6-7-16(13)19(11)10-12-4-2-3-5-15(12)17/h2-7,9,11H,8,10H2,1H3,(H2,18,20,21)/t11-/m0/s1
InChIKeyMPEUYMUKFQZZCM-NSHDSACASA-N
MW381.30 g/mol
LogP3.05
Rot. Bonds3

About (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 34918768) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID34918768
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1Br
InChIInChI=1S/C16H17BrN2O2S/c1-11-8-13-9-14(22(18,20)21)6-7-16(13)19(11)10-12-4-2-3-5-15(12)17/h2-7,9,11H,8,10H2,1H3,(H2,18,20,21)/t11-/m0/s1
InChIKeyMPEUYMUKFQZZCM-NSHDSACASA-N
XLogP3.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25355714
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 34918768) is (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1Br.
What is the InChIKey of (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MPEUYMUKFQZZCM-NSHDSACASA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-11-8-13-9-14(22(18,20)21)6-7-16(13)19(11)10-12-4-2-3-5-15(12)17/h2-7,9,11H,8,10H2,1H3,(H2,18,20,21)/t11-/m0/s1.
What are the key properties of (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 381.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 34918768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).