N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H22BrNO2S — CID 106136147

IUPACN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22BrNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2
InChIKeyDGUAAAIRAMKBCS-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.41
Rot. Bonds4

About N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 106136147) has the molecular formula C16H22BrNO2S and a molecular weight of 372.33 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID106136147
Molecular FormulaC16H22BrNO2S
Molecular Weight372.33 g/mol
Exact Mass371.06
IUPAC NameN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22BrNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2
InChIKeyDGUAAAIRAMKBCS-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 94008867
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 106136147) is N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCC1CCC(Br)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is DGUAAAIRAMKBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2.
What are the key properties of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 372.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 106136147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).