N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide

C19H21ClN2O3S — CID 57524309

IUPACN-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
SMILESCC[C@](CO)(C1=CC=C(C=C1)Cl)N2C=CC3=C(C=CC=C32)NS(=O)(=O)C
InChIInChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
InChIKeyRKFFHZQKHIMLAH-IBGZPJMESA-N
MW392.90 g/mol
LogP3.30
Rot. Bonds6

About N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide

N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide (PubChem CID 57524309) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.90 g/mol. Its IUPAC name is N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
PubChem CID57524309
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.90 g/mol
Exact Mass392.10
IUPAC NameN-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
SMILESCC[C@](CO)(C1=CC=C(C=C1)Cl)N2C=CC3=C(C=CC=C32)NS(=O)(=O)C
InChIInChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
InChIKeyRKFFHZQKHIMLAH-IBGZPJMESA-N
XLogP3.30
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity574

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-(3-chlorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 25260132
(1S,2R)-1-(2-chlorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483083
(1S,2R)-1-(4-chlorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483087
(1S,2R)-1-(6-chloro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483130
methyl 2-(4-chlorophenyl)-2-{4-[(methylsulfonyl)amino]-1H-indol-1-yl}butanoate
CID 57524786
methyl (2R)-2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]butanoate
CID 57524787
methyl (2S)-2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]butanoate
CID 57524788
Methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]propanoate
CID 57524865
Methyl 2-(4-chlorophenyl)-3-cyano-2-[4-(methanesulfonamido)indol-1-yl]propanoate
CID 57524935
Methyl 2-(4-chlorophenyl)-3-cyclopropyl-2-[4-(methanesulfonamido)indol-1-yl]propanoate
CID 57524937
Methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate
CID 70560817
N-(1-(3-(4-chlorophenyl)pentan-3-yl)-1H-indol-4-yl)methanesulfonamide
CID 70561849

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide (CID 57524309) is N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide is CC[C@](CO)(C1=CC=C(C=C1)Cl)N2C=CC3=C(C=CC=C32)NS(=O)(=O)C.
What is the InChIKey of N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide?
The InChIKey is RKFFHZQKHIMLAH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide?
N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide has a molecular weight of 392.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 57524309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).