4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide

C20H22N2O3S — CID 4046987

IUPAC4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-15-7-9-16(10-8-15)26(23,24)21-13-14-6-11-20-18(12-14)17-4-2-3-5-19(17)22-20/h6-12,21-22H,2-5,13H2,1H3
InChIKeySMBMBNFZNIYORG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.53
Rot. Bonds5

About 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide

4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide (PubChem CID 4046987) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
PubChem CID4046987
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-15-7-9-16(10-8-15)26(23,24)21-13-14-6-11-20-18(12-14)17-4-2-3-5-19(17)22-20/h6-12,21-22H,2-5,13H2,1H3
InChIKeySMBMBNFZNIYORG-UHFFFAOYSA-N
XLogP3.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909748
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide (CID 4046987) is 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1.
What is the InChIKey of 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is SMBMBNFZNIYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-15-7-9-16(10-8-15)26(23,24)21-13-14-6-11-20-18(12-14)17-4-2-3-5-19(17)22-20/h6-12,21-22H,2-5,13H2,1H3.
What are the key properties of 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4046987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).