N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C19H22N2O4S — CID 97414088

IUPACN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-10-14(25-3)8-9-19(13)26(23,24)20-11-18(22)16-12-21(2)17-7-5-4-6-15(16)17/h4-10,12,18,20,22H,11H2,1-3H3/t18-/m1/s1
InChIKeyFHXSJTXNQFUCBZ-GOSISDBHSA-N
MW374.46 g/mol
LogP2.51
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 97414088) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID97414088
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-10-14(25-3)8-9-19(13)26(23,24)20-11-18(22)16-12-21(2)17-7-5-4-6-15(16)17/h4-10,12,18,20,22H,11H2,1-3H3/t18-/m1/s1
InChIKeyFHXSJTXNQFUCBZ-GOSISDBHSA-N
XLogP2.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90535181
2,4-dichloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535215
2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535196
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 97414114
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 90535146
3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535169
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 97414088) is N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is FHXSJTXNQFUCBZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-10-14(25-3)8-9-19(13)26(23,24)20-11-18(22)16-12-21(2)17-7-5-4-6-15(16)17/h4-10,12,18,20,22H,11H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 97414088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).