N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide

C19H22ClNO3S — CID 124721706

IUPACN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide
SMILESO=S(=O)(CCCOCc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H22ClNO3S/c20-17-8-9-18-16(13-17)7-10-19(18)21-25(22,23)12-4-11-24-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2/t19-/m1/s1
InChIKeyAHJVWVGWWJVRMO-LJQANCHMSA-N
MW379.91 g/mol
LogP3.85
Rot. Bonds8

About N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide

N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide (PubChem CID 124721706) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide
PubChem CID124721706
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide
SMILESO=S(=O)(CCCOCc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H22ClNO3S/c20-17-8-9-18-16(13-17)7-10-19(18)21-25(22,23)12-4-11-24-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2/t19-/m1/s1
InChIKeyAHJVWVGWWJVRMO-LJQANCHMSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 43654489
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 81296849
5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 78997541
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 70223409
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 116531102
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide?
The IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide (CID 124721706) is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide?
The canonical SMILES for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide is O=S(=O)(CCCOCc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide?
The InChIKey is AHJVWVGWWJVRMO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c20-17-8-9-18-16(13-17)7-10-19(18)21-25(22,23)12-4-11-24-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2/t19-/m1/s1.
What are the key properties of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide?
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide has a molecular weight of 379.91 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide is sourced from PubChem (CID 124721706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).